(2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone

C19H20BrNO3 — CID 110396817

IUPAC(2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
SMILESCOc1ccc(OC2CCN(C(=O)c3ccccc3Br)CC2)cc1
InChIInChI=1S/C19H20BrNO3/c1-23-14-6-8-15(9-7-14)24-16-10-12-21(13-11-16)19(22)17-4-2-3-5-18(17)20/h2-9,16H,10-13H2,1H3
InChIKeyNCXMCBIPXMPWGE-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.14
Rot. Bonds4

About (2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone

(2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone (PubChem CID 110396817) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is (2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
PubChem CID110396817
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Name(2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
SMILESCOc1ccc(OC2CCN(C(=O)c3ccccc3Br)CC2)cc1
InChIInChI=1S/C19H20BrNO3/c1-23-14-6-8-15(9-7-14)24-16-10-12-21(13-11-16)19(22)17-4-2-3-5-18(17)20/h2-9,16H,10-13H2,1H3
InChIKeyNCXMCBIPXMPWGE-UHFFFAOYSA-N
XLogP4.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548886
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 44781860
(2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616521
[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70764451
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265657
(2-bromophenyl)-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3942200
(2-aminophenyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 119945105
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870210
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone (CID 110396817) is (2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone is COc1ccc(OC2CCN(C(=O)c3ccccc3Br)CC2)cc1.
What is the InChIKey of (2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone?
The InChIKey is NCXMCBIPXMPWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3/c1-23-14-6-8-15(9-7-14)24-16-10-12-21(13-11-16)19(22)17-4-2-3-5-18(17)20/h2-9,16H,10-13H2,1H3.
What are the key properties of (2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone?
(2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone has a molecular weight of 390.28 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 110396817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).